zinc 3,5-bis(2-methylpentan-2-yl)-2-oxidanyl-benzoate

Systemtic Name: zinc 3,5-bis(2-methylpentan-2-yl)-2-oxidanyl-benzoate Openeye Name: zinc 3,5-bis(1,1-dimethylbutyl)-2-hydroxy-benzoate CAS Name: zinc 2-hydroxy-3,5-bis(2-methylpentan-2-yl)benzoate IUPAC Name: zinc 2-hydroxy-3,5-bis(2-methylpentan-2-yl)benzoate Traditional Name: zinc 3,5-bis(1,1-dimethylbutyl)-2-hydroxy-benzoate Formula: C38H58O6Zn MolecularWeight: 676.27252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)CCC.CCCC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)CCC.[Zn+2]

Isomeric SMILES

CCCC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)CCC.CCCC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)(C)CCC.[Zn+2]

InChI

InChI=1S/2C19H30O3.Zn/c2*1-7-9-18(3,4)13-11-14(17(21)22)16(20)15(12-13)19(5,6)10-8-2;/h2*11-12,20H,7-10H2,1-6H3,(H,21,22);/q;;+2/p-2